Related Books

A Chemist's Guide to Density Functional Theory
Language: en
Pages: 378
Authors: Wolfram Koch
Categories: Science
Type: BOOK - Published: 2015-11-18 - Publisher: John Wiley & Sons

DOWNLOAD EBOOK

"Chemists familiar with conventional quantum mechanics will applaud and benefit greatly from this particularly instructive, thorough and clearly written exposit
Density-Functional Theory of Atoms and Molecules
Language: en
Pages: 344
Authors: Robert G. Parr
Categories: Science
Type: BOOK - Published: 1994-05-26 - Publisher: Oxford University Press

DOWNLOAD EBOOK

This book is a rigorous, unified account of the fundamental principles of the density-functional theory of the electronic structure of matter and its applicatio
Density Functional Theory
Language: en
Pages: 252
Authors: David S. Sholl
Categories: Science
Type: BOOK - Published: 2011-09-20 - Publisher: John Wiley & Sons

DOWNLOAD EBOOK

Demonstrates how anyone in math, science, and engineering can master DFT calculations Density functional theory (DFT) is one of the most frequently used computa
A Chemist's Guide to Valence Bond Theory
Language: en
Pages: 332
Authors: Sason S. Shaik
Categories: Science
Type: BOOK - Published: 2007-12-10 - Publisher: John Wiley & Sons

DOWNLOAD EBOOK

This reference on current VB theory and applications presents a practical system that can be applied to a variety of chemical problems in a uniform manner. Afte
Computational Chemistry
Language: en
Pages: 408
Authors: David Young
Categories: Science
Type: BOOK - Published: 2004-04-07 - Publisher: John Wiley & Sons

DOWNLOAD EBOOK

A practical, easily accessible guide for bench-top chemists, thisbook focuses on accurately applying computational chemistrytechniques to everyday chemistry pro